Summary: Numerical Procedure to Extract Physical Properties
from Raman Scattering Data in a Flow Reactor
Jang Y. Hwang,a
* Min Huang,a
and Tim Andersona,
Department of Chemical Engineering, University of Florida, Gainesville, Florida 32611, USA
School of Chemical Engineering and Technology, Yeungnam University, Gyeongsan 712-749,
Republic of Korea
A parameter estimation procedure was established to extract physical parameters related to chemical vapor deposition CVD
processes, which consists of in situ experimental data collection and computational analysis. Specifically, mass-transport behavior
in an up-flow cold-wall CVD reactor was monitored using in situ Raman spectroscopy. A two-dimensional axisymmetric model of
the reactor was developed and combined with genetic and simplex algorithms for property estimation. The numerical procedure
was unambiguously able to extract binary mass diffusivities and Raman cross sections from the same data set for the methane/
nitrogen and ammonia/nitrogen cases. The procedure developed in this study is general and expected to be particularly useful in
extracting diffusivities and cross sections for reaction intermediate species and kinetic parameters for complex reacting systems.
© 2005 The Electrochemical Society. DOI: 10.1149/1.1885366 All rights reserved.